Details of the Drug

General Information of Drug (ID: DMW9H4A)

Drug Name

SCH 50911

Synonyms

SCH 50911; 160415-07-6; UNII-13OB0KEU61; 733717-87-8; 13OB0KEU61; SCH50911; (2S)-(+)-5,5-Dimethyl-2-morpholineacetic acid; SCH-50911; NCGC00024915-02; [(2s)-5,5-Dimethylmorpholin-2-Yl]acetic Acid; DSSTox_RID_81045; DSSTox_CID_25670; DSSTox_GSID_45670; 2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid; SCH-50911 free base; CAS-160415-07-6; Spectrum_001764; SCH 50911 free base; AC1NSKM9; Biomol-NT_000243; 2-Morpholineacetic acid, 5,5-dimethyl-, (2S)-; KBioSS_002245; SCHEMBL340881; BPBio1_000749; GTPL1075; ZINC6164; CHEMBL1895916

Indication

Disease Entry	ICD 11	Status	REF
Absence seizure	8A68.2	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

173.21

Logarithm of the Partition Coefficient (xlogp)

-2.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C8H15NO3
IUPAC Name: 2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid
Canonical SMILES: CC1(CO[C@H](CN1)CC(=O)O)C
InChI: InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKey: SEYCKMQSPUVYEF-LURJTMIESA-N

Cross-matching ID

PubChem CID: 5311429
CAS Number: 733717-87-8
TTD ID: D0K9OL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid B receptor (GABBR)	TTDCVZW	GABR1_HUMAN ; GABR2_HUMAN	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1075).
2	Activation of nigral dopamine neurons by the selective GABA(B)-receptor antagonist SCH 50911. J Neural Transm. 1999;106(5-6):383-94.